Gilles H. Peslherbe: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

High Performance Computing Symposium 2011

Talon, Suzanne, Mousseau, Normand, Peslherbe, Gilles, Bertrand, François, Gauthier, Pierre, Kadem, Lyes, Moitessier, Nicolas, Rouleau, Guy, Wittig, Rod

Journal:

Journal of Physics Conference Series

Year:

2012

Language:

english

File:

PDF, 1.30 MB

english, 2012

2

Conformational Analysis of 18-Azacrown-6 and Its Bonding with Late First Transition Series Divalent Metals: Insight from DFT Combined with NPA and QTAIM Analyses

Varadwaj, Pradeep R., Varadwaj, Arpita, Peslherbe, Gilles H., Marques, Helder M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.08 MB

english, 2011

3

Design, synthesis, and solution behaviour of small polyamines as switchable water additives

Mercer, Sean M., Robert, Tobias, Dixon, Daniel V., Chen, Chien-Shun, Ghoshouni, Zahra, Harjani, Jitendra R., Jahangiri, Soran, Peslherbe, Gilles H., Jessop, Philip G.

Journal:

Green Chemistry

Year:

2012

Language:

english

File:

PDF, 427 KB

english, 2012

4

The unimolecular C2 fragmentation of C82: a computational study

Grygoriy A. Dolgonos, Gilles H. Peslherbe

Journal:

International Journal of Mass Spectrometry

Year:

2005

Language:

english

File:

PDF, 245 KB

english, 2005

5

A comparison of classical trajectory and statistical unimolecular rate theory calculations of Al3 decomposition

Peslherbe, Gilles H., Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 2.01 MB

english, 1994

6

Acid Ionization of HBr in a Small Water Cluster

Gertner, Bradley J., Peslherbe, Gilles H., Hynes, James T.

Journal:

Israel Journal of Chemistry

Year:

1999

Language:

english

File:

PDF, 841 KB

english, 1999

7

Structure of NaI ion pairs in water clusters

Gilles H. Peslherbe, Branka M. Ladanyi, James T. Hynes

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 801 KB

english, 2000

8

Conventional and density-fitting local Møller–Plesset theory calculations of C60 and its endohedral H2@C60 and 2H2@C60 complexes

Grygoriy A. Dolgonos, Gilles H. Peslherbe

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 233 KB

english, 2011

9

Resonance Description of S -Nitrosothiols: Insights into Reactivity

Timerghazin, Qadir K., Peslherbe, Gilles H., English, Ann M.

Journal:

Organic Letters

Year:

2007

Language:

english

File:

PDF, 95 KB

english, 2007

10

Linear Free Energy of Activation Relationship for Barrierless Association Reactions

de Sainte Claire, Pascal, Peslherbe, Gilles H., Wang, Haobin, Hase, William L.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 138 KB

english, 1997

11

Nonadiabatic Trajectory Studies of NaI(H 2 O) n Photodissociation Dynamics †

Koch, Denise M., Timerghazin, Qadir K., Peslherbe, Gilles H., Ladanyi, Branka M., Hynes, James T.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 544 KB

english, 2006

12

First-Principles Investigation of the Coupling-Induced Dissociation of Methane and its Transformation to Ethane and Ethylene

John Varghese, Jithin, Saravanan, Bharathi, Vach, Holger, Peslherbe, Gilles H., Mushrif, Samir H.

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 1.52 MB

english, 2018

13

A theoretical study of trivalent lanthanide ion microsolvation in water clusters from first principles

Sean R. Hughes, Tao-Nhân Nguyen, John A. Capobianco, Gilles H. Peslherbe

Journal:

International Journal of Mass Spectrometry

Year:

2005

Language:

english

File:

PDF, 282 KB

english, 2005

14

A computational study of the 1,3-dipolar cycloaddition reaction mechanism for nitrilimines

Mawhinney, Robert C, Muchall, Heidi M, Peslherbe, Gilles H

Journal:

Canadian Journal of Chemistry

Year:

2005

File:

PDF, 356 KB

2005

15

Molecular dissociation and vibrational excitation in the surface scattering of (N[sub 2])[sub n] and (O[sub 2])[sub n] clusters

Nguyen, Tao-Nhân V., Koch, Denise M., Peslherbe, Gilles H., Vach, Holger

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 501 KB

english, 2003

16

Quaternary-linked changes in structure and dynamics that modulate O 2 migration within hemoglobin’s gas diffusion tunnels

Shadrina, Maria S, Peslherbe, Gilles Herve, English, Ann M.

Journal:

Year:

2015

Language:

english

File:

PDF, 4.44 MB

english, 2015

17

First-principles calculations of the palladium(II) acetylacetonate crystal structure

Samir H. Mushrif, Alejandro D. Rey, Gilles H. Peslherbe

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 408 KB

english, 2008

18

Cage effects and rotational hindrance in the surface scattering of large (N2)n clusters

Nihed Chaâbane, Gregor Jundt, Holger Vach, Denise M Koch, Gilles H Peslherbe

Journal:

International Journal of Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 448 KB

english, 2002

19

Trajectory Studies of SN2 Nucleophilic Substitution. 4. Intramolecular and Unimolecular Dynamics of the Cl----CH3Br and ClCH3---Br- Complexes

Wang, Haobin, Peslherbe, Gilles H., Hase, William L.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.04 MB

english, 1994

20

Structure and stability of HSNO, the simplest S-nitrosothiol

Timerghazin, Qadir K., Peslherbe, Gilles H., English, Ann M.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 552 KB

english, 2008

21

Semiempirical MNDO, AM1, and PM3 direct dynamics trajectory studies of formaldehyde unimolecular dissociation

Peslherbe, Gilles H., Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 420 KB

english, 1996

22

ChemInform Abstract: Accurate Phase Space Theory and Molecular Dynamics Calculations of Aluminum Cluster Dissociation

Gilles H. Peslherbe, William L. Hase

Journal:

Year:

2000

File:

PDF, 25 KB

2000

23

Non-nuclear attractor of electron density as a manifestation of the solvated electron

Timerghazin, Qadir K., Peslherbe, Gilles H.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.31 MB

english, 2007

24

Quantum Effects on the Free Energy of Ionic Aqueous Clusters Evaluated by Nonequilibrium Computational Methods

Hernández de la Peña, Lisandro, Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 929 KB

english, 2010

25

Comparison of quantum and semiclassical variational transition state models for the HO2→H+O2 microcanonical rate constant

Song, Kihyung, Peslherbe, Gilles H., Hase, William L., Dobbyn, Abigail J., Stumpf, Michael, Schinke, Reinhard

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 443 KB

english, 1995

26

On the multireference character of S-nitrosothiols: A theoretical study of HSNO

Qadir K. Timerghazin, Ann M. English, Gilles H. Peslherbe

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 427 KB

english, 2008

27

Rotational cooling and translational trapping during the thermal evaporation of free nitrogen clusters

Gregor Jundt, Holger Vach, Nihed Chaâbane, Quentin Brulin, Gilles H. Peslherbe

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 203 KB

english, 2003

28

Characterizing Nitrilimines with Nuclear Magnetic Resonance Spectroscopy. A Theoretical Study †

Mawhinney, Robert C., Peslherbe, Gilles H., Muchall, Heidi M.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 99 KB

english, 2008

29

On the transition from surface to interior solvation in iodide–water clusters

Denise M. Koch, Gilles H. Peslherbe

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 305 KB

english, 2002

30

Substituent effects and the role of negative hyperconjugation in siloxycarbene rearrangements

Loncke, Paul G., Peslherbe, Gilles H.

Journal:

Organic & Biomolecular Chemistry

Year:

2005

Language:

english

File:

PDF, 448 KB

english, 2005

31

Electronic Structure of the Acetonitrile and Acetonitrile Dimer Anions: A Topological Investigation †

Timerghazin, Qadir K., Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 351 KB

english, 2008

32

Microsolvation of Alkali and Halide Ions in Acetonitrile Clusters

Nguyen, Tao-Nhân V., Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 181 KB

english, 2003

33

Performance of density-functional tight-binding models in describing hydrogen-bonded anionic-water clusters

Jahangiri, Soran, Cai, Lemin, Peslherbe, Gilles H.

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 573 KB

english, 2014

34

Mechanically induced generation of highly reactive excited-state oxygen molecules in cluster scattering

Nguyen, Tao-Nha^n V., Timerghazin, Qadir K., Vach, Holger, Peslherbe, Gilles H.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

35

A density-functional theory investigation of the electronic structure of the active carbon graphite-like and amorphous domains

Oleksiy V. Khavryuchenko, Volodymyr D. Khavryuchenko, Vladyslav V. Lisnyak, Gilles H. Peslherbe

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 867 KB

english, 2011

36

Energetics and dynamics of hydrogen adsorption, desorption and migration on a carbon-supported palladium cluster

Mushrif, Samir H., Rey, Alejandro D., Peslherbe, Gilles H.

Journal:

Journal of Materials Chemistry

Year:

2010

Language:

english

File:

PDF, 377 KB

english, 2010

37

Can a Dipole-Bound Electron Form a Pseudo-Atom? An Atoms-In-Molecules Study of the Hydrated Electron

Timerghazin, Qadir K., Rizvi, Inessa, Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.08 MB

english, 2011

38

Further Insight into the Relaxation Dynamics of Photoexcited I - (H 2 O) n Clusters

Timerghazin, Qadir K., Peslherbe, Gilles H.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 52 KB

english, 2003

39

Encapsulation of diatomic molecules in fullerene C 60 : implications for their main properties

Dolgonos, Grygoriy A., Peslherbe, Gilles H.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.30 MB

english, 2014

40

Mechanisms of translational and rotational energy transfer in (N[sub 2])[sub n] cluster–surface scattering

Koch, Denise M., Peslherbe, Gilles H., Vach, Holger

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 562 KB

english, 2001

41

Photoinduced electron transfer and solvation dynamics in aqueous clusters: comparison of the photoexcited iodide-water pentamer and the water pentamer anion

Mak, Chun C., Timerghazin, Qadir K., Peslherbe, Gilles H.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 4.84 MB

english, 2012

42

Substituent Effects in the Absorption Spectra of Phenol Radical Species: Origin of the Redshift Caused by 3,5-Dimethoxyl Substitution

Zhang, Lei, Muchall, Heidi M., Peslherbe, Gilles H.

Journal:

Photochemistry and Photobiology

Year:

2013

Language:

english

File:

PDF, 477 KB

english, 2013

43

On the Statistical Nature of Collision and Surface-Induced Dissociation: A Theoretical Investigation of Aluminum Clusters †

Larrégaray, Pascal, Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 128 KB

english, 2006

44

A Theoretical Investigation of the Decarbonylation of Methoxy(siloxy)carbene

Loncke, Paul G., Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 584 KB

english, 2004

45

Spin Catalysis over Conductive Solids: Enhancing the Rate of Model C−C Bond Cracking over Carbon Nanoparticles

Khavryuchenko, Oleksiy V., Peslherbe, Gilles H.

Journal:

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

46

An electronic structure theory investigation of the physical chemistry of the intermolecular complexes of cyclopropenylidene with hydrogen halides

Pradeep R. Varadwaj, Arpita Varadwaj, Gilles H. Peslherbe

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

47

A density-functional theory investigation of the structural and spin properties of (PO2)4(WO3)8 model bronzes

Oleksiy V. Khavryuchenko, Nataliya V. Stus, Gilles H. Peslherbe

Journal:

Solid State Communications

Year:

2012

Language:

english

File:

PDF, 428 KB

english, 2012

48

Mechanisms of Intramolecular Rearrangements of Cyclic Siloxycarbenes

Loncke, Paul G., Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 857 KB

english, 2004

49

Parameterization of Halogens for the Density-Functional Tight-Binding Description of Halide Hydration

Jahangiri, Soran, Dolgonos, Grygoriy, Frauenheim, Thomas, Peslherbe, Gilles H.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.08 MB

english, 2013

50

Density Functional Theory versus Complete Active Space Self-Consistent Field Investigation of the Half-Metallic Character of Graphite-Like and Amorphous Carbon Nanoparticles

Khavryuchenko, Oleksiy V., Khavryuchenko, Volodymyr D., Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 949 KB

english, 2014

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски